Compound Detail
CHEMBL186138
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Basic Information
| ChEMBL ID | CHEMBL186138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBHMSZAQUTYCEO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
4.03
ALogP
5
HBA
2
HBD
102.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 8.26 | 8.26 | 5.5 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 3.3 | nM | 8.48 | Inhibition of 8-OH DPAT binding to rat hydroxytryptamine 1A receptor expressed i... | 15341484 |
| Sodium-dependent serotonin transporter | IC50 | = | 5.5 | nM | 8.26 | Inhibition of [3H]5-HT re-uptake in rat synaptosomes | 15341484 |
| D(2) dopamine receptor | IC50 | = | 220.0 | nM | 6.66 | Displacement of [3H]spiperone from dopamine D2 receptor of rat striatal membrane... | 15341484 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15341484 | 10.1021/jm040793q | 5-hydroxytryptamine receptor 1A | 1 |
| 15341484 | 10.1021/jm040793q | Sodium-dependent serotonin transporter | 1 |
| 15341484 | 10.1021/jm040793q | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine